The oxidation of ethylbenzene near 1060K

Flow reactor data from the oxidation of ethylbenzene are analyzed to deduce the major reactions involved in removing the ethyl group. Three major routes are found: (i) direct cleavage of the sidechain followed by the oxidation of the benzyl radical, (ii) displacement of the ethyl by a radical species, and (iii) abstraction of a hydrogen from the ethyl group that leads to the formation of styrene from which the removal of the vinyl group occurs through displacement or oxidative attack. Because of the importance of styrene in the ethylbenzene mechanism, results from a styrene oxidation are also reported. The experimental results are used to derive quantitative information on the relative importance of the three major paths through linear regression of equations derived with a steady state analysis. Finally the reaction sequence beginning with abstraction shows a strong analogy to results for the oxidation of ethane, and suggests that some results for the alkanes can serve as guides in understanding the results for higher normal alkylated aromatics.